Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 11/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 2/20 | 0.36 |
| ▸ | VCP | P55072 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3159287 | 0.91 | NR1H4 (0.59) | NR1H4NR1H2NR1H3VDRCCNK | |
| SCHEMBL497893 | 0.90 | NR1H4 (0.60) | NR1H4VDRSMN1; SMN2CCNKCCND3 | |
| SCHEMBL498129 | 0.89 | NR1H4 (0.68) | NR1H4VDR | |
| SCHEMBL498234 | 0.84 | NR1H4 (0.58) | NR1H4ROCK2ROCK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3150919 | 0.84 | NR1H4 (0.61) | NR1H4VDR | |
| SCHEMBL3165207 | 0.83 | NR1H4 (0.60) | NR1H4VDRVCPCCNKCCND3 | |
| SCHEMBL3165576 | 0.82 | NR1H4 (0.70) | NR1H4VDR | |
| SCHEMBL498287 | 0.80 | NR1H4 (0.67) | NR1H4VDR | |
| SCHEMBL3155021 | 0.80 | NR1H4 (0.67) | NR1H4VDR | |
| SCHEMBL498102 | 0.80 | NR1H4 (0.60) | NR1H4VDRCCNKCCND3GSK3B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029558-B1 | COMPOUNDS AND METHODS FOR MODULATING FXR | LILLY CO ELI (US) | 2010-03-10 | — | — | EP | disclosed |